4Y44
Endothiapepsin in complex with fragment 164
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-04-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.213, 72.871, 52.553 |
| Unit cell angles | 90.00, 109.00, 90.00 |
Refinement procedure
| Resolution | 42.749 - 1.240 |
| R-factor | 0.1122 |
| Rwork | 0.112 |
| R-free | 0.12390 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3pcw |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.220 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Refinement software | PHENIX (dev_1779) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.690 | 1.310 |
| High resolution limit [Å] | 1.240 | 1.240 |
| Rmerge | 0.018 | |
| Number of reflections | 88968 | |
| <I/σ(I)> | 20.3 | 5.3 |
| Completeness [%] | 97.5 | 91 |
| Redundancy | 3.4 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 290 | 0.1 M ammonium acetate, 0.1 M sodium acetate, 24-30% PEG 4000, crystals obtained by streak-seeding |
